Error in Structure (mp-1271128)

Materials Project
2

Hi @CcJacky please take a look at this answer to a related question. The short answer is that we automatically determine symmetry information, which is not an exact methodology. Using a lower/stricter tolerance gives the Fmmm spacegroup, using a looser tolerance gives I4/mmm:

from mp_api.client import MPRester

with MPRester() as mpr:
  s = mpr.get_structure_by_material_id('mp-1271128')

for symprec in (0.1, 0.01): # 0.1 is looser, 0.01 is tighter
  print(symprec,s.get_space_group_info(symprec=symprec)[0])
>>> 0.1 I4/mmm
>>> 0.01 Fmmm
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